SCHEMBL9259386

SCHEMBL9259386

N=C(N)c1ccc(NC(=O)C#CC(=O)Nc2cccnc2CCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.44
ITGA2B P08514 10/20 0.44
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
SHMT2 P34897 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6984287 0.75 SHMT2 (0.47) ITGB3ITGA2BF2SHMT2
SCHEMBL6980921 0.73 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL9261117 0.71 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9260617 0.71 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL12323108 0.70 F10 (0.46) ITGB3ITGA2BF2
SCHEMBL9257934 0.69 ITGB3 (0.42) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9425678 0.69 ITGB3 (0.42) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9260554 0.69 ITGB3 (0.42) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9426346 0.67 F2 (0.43) ITGB3ITGA2BF2
SCHEMBL3290955 0.67 ITGB3 (0.81) ITGB3ITGA2BF2PRSS1PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed